CID 3050996

67227-29-6

Structural Information

Molecular Formula
C10H16ClN3O4
SMILES
C1CC(CCC1NC(=O)N(CCCl)N=O)OC=O
InChI
InChI=1S/C10H16ClN3O4/c11-5-6-14(13-17)10(16)12-8-1-3-9(4-2-8)18-7-15/h7-9H,1-6H2,(H,12,16)
InChIKey
VVZZSKSWIWSSRF-UHFFFAOYSA-N
Compound name
[4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.08295 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09023 159.0
[M+Na]+ 300.07217 163.0
[M-H]- 276.07567 164.2
[M+NH4]+ 295.11677 175.8
[M+K]+ 316.04611 162.6
[M+H-H2O]+ 260.08021 152.3
[M+HCOO]- 322.08115 179.9
[M+CH3COO]- 336.09680 206.6
[M+Na-2H]- 298.05762 162.2
[M]+ 277.08240 161.2
[M]- 277.08350 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.